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Fourier‐transformation of model chain pair configurations and their analysis in fourier‐space
Author(s) -
Zifferer Gerhard,
Olaj Oskar Friedrich
Publication year - 1995
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.1995.040040402
Subject(s) - radius of gyration , fourier transform , scattering , gyration , light scattering , basis (linear algebra) , intermolecular force , statistical physics , chemistry , fourier analysis , fourier series , polymer , intramolecular force , transformation (genetics) , molecular physics , physics , mathematical analysis , optics , mathematics , geometry , quantum mechanics , nuclear magnetic resonance , molecule , biochemistry , gene
Light scattering experiments may be used to determine a lot of quantities characteristic of a polymer. Numeric analysis of calculated scattering intensities of ensembles of polymer model chains in dilute solution (taking into account intramolecular as well as intermolecular interferences) according to the familiar methods and comparison of the results to the respective quantities evaluated directly in real space allows a check of the liability of data extracted from light scattering experiments. It turned out that the mean‐square radius of gyration as well as the excluded volume (which may be regarded as the second moment of the pair distribution function) are nearly perfectly reproduced. Higher moments, however, are subject to some error which is due to the characteristic changes in size, shape and orientation of polymers caused by intermolecular interaction which are not accounted for in the theories forming the basis of the analysis of light scattering data.